[3-(hydroxymethyl)piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone

C10H18N2O2S — CID 43590441

IUPAC[3-(hydroxymethyl)piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone
SMILESO=C(C1CSCN1)N1CCCC(CO)C1
InChIInChI=1S/C10H18N2O2S/c13-5-8-2-1-3-12(4-8)10(14)9-6-15-7-11-9/h8-9,11,13H,1-7H2
InChIKeyJNUUMKZZOMMQHD-UHFFFAOYSA-N
MW230.33 g/mol
LogP-0.12
Rot. Bonds2

About [3-(hydroxymethyl)piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone

[3-(hydroxymethyl)piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone (PubChem CID 43590441) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is [3-(hydroxymethyl)piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone.

Molecular Properties

Compound Name[3-(hydroxymethyl)piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone
PubChem CID43590441
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC Name[3-(hydroxymethyl)piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone
SMILESO=C(C1CSCN1)N1CCCC(CO)C1
InChIInChI=1S/C10H18N2O2S/c13-5-8-2-1-3-12(4-8)10(14)9-6-15-7-11-9/h8-9,11,13H,1-7H2
InChIKeyJNUUMKZZOMMQHD-UHFFFAOYSA-N
XLogP-0.12
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone?
The IUPAC name of [3-(hydroxymethyl)piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone (CID 43590441) is [3-(hydroxymethyl)piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone.
What is the SMILES notation for [3-(hydroxymethyl)piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone?
The canonical SMILES for [3-(hydroxymethyl)piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone is O=C(C1CSCN1)N1CCCC(CO)C1.
What is the InChIKey of [3-(hydroxymethyl)piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone?
The InChIKey is JNUUMKZZOMMQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c13-5-8-2-1-3-12(4-8)10(14)9-6-15-7-11-9/h8-9,11,13H,1-7H2.
What are the key properties of [3-(hydroxymethyl)piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone?
[3-(hydroxymethyl)piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone has a molecular weight of 230.33 g/mol, XLogP of -0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone is sourced from PubChem (CID 43590441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).